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AURORAFEINCHEMIE-ZINC03852306

 MMsINC code: MMs00457454
Type: Neutral
Formula: C17H29NO3
SMILES:   O(C(=O)NC1CCCCC1=O)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C17H29NO3/c1-11(2)13-9-8-12(3)10-16(13)21-17(20)18-14-6-4-5-7-15(14)19/h11-14,16H,4-10H2,1-3H3,(H,18,20)/t12-,13+,14+,16+/m1/s1

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Potential Energy
Epot(MMFF94)=31.2783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.423 g/mol  logS: -4.02592  SlogP: 3.6851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867833  Sterimol/B1: 1.97773  Sterimol/B2: 3.34995  Sterimol/B3: 3.46965
  Sterimol/B4: 9.02731  Sterimol/L: 14.7168 
 
 Surface and Volume Properties
  Accessible surface: 558.463  Positive charged surface: 414.249  Negative charged surface: 144.214  Volume: 309.625
  Hydrophobic surface: 436.178  Hydrophilic surface: 122.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.